[2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine

C12H10Cl4N2S — CID 114022333

IUPAC[2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)c(Cl)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H10Cl4N2S/c13-8-2-1-6(3-9(8)14)4-10(18-17)7-5-11(15)19-12(7)16/h1-3,5,10,18H,4,17H2
InChIKeyBQTLFCTZLJEDBU-UHFFFAOYSA-N
MW356.11 g/mol
LogP5.11
Rot. Bonds4

About [2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine

[2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine (PubChem CID 114022333) has the molecular formula C12H10Cl4N2S and a molecular weight of 356.11 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
PubChem CID114022333
Molecular FormulaC12H10Cl4N2S
Molecular Weight356.11 g/mol
Exact Mass353.93
IUPAC Name[2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)c(Cl)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H10Cl4N2S/c13-8-2-1-6(3-9(8)14)4-10(18-17)7-5-11(15)19-12(7)16/h1-3,5,10,18H,4,17H2
InChIKeyBQTLFCTZLJEDBU-UHFFFAOYSA-N
XLogP5.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.11
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine (CID 114022333) is [2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine is NNC(Cc1ccc(Cl)c(Cl)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of [2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine?
The InChIKey is BQTLFCTZLJEDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl4N2S/c13-8-2-1-6(3-9(8)14)4-10(18-17)7-5-11(15)19-12(7)16/h1-3,5,10,18H,4,17H2.
What are the key properties of [2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine?
[2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine has a molecular weight of 356.11 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine is sourced from PubChem (CID 114022333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).